SCHEMBL6413635

SCHEMBL6413635

[NH]CCC(=O)NCCc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.51
HPGD P15428 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ESRRG P62508 1/20 0.49
PPID Q08752 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22403771 0.88 HPGD (0.54) ST14HPGDCA1CA2CA9
SCHEMBL6415914 0.86 ST14 (0.54) ST14HPGDCA1CA2CA9
SCHEMBL6413637 0.85 CA1 (0.55) HPGDCA1CA2CA9ALDH1A1
SCHEMBL6850677 0.81 ESRRG (0.53) ST14HPGDCA1CA2CA9
SCHEMBL6415918 0.81 CA1 (0.66) ST14HPGDCA1CA2CA9
SCHEMBL15358707 0.80 STS (0.64) HPGDALDH1A1HSD17B10
SCHEMBL583496 0.80 CA1 (0.60) CA1CA2HSD17B10HDAC3HDAC4
SCHEMBL19334528 0.79 ACACB (0.56) ST14HPGDCA1CA2ALDH1A1
SCHEMBL15940162 0.78 ESRRG (0.57) ST14CA1CA2CA9ESRRG
SCHEMBL17211420 0.77 HSD17B10 (0.54) HPGDCA1CA2ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129092-B1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES ARCTIC DIAGNOSTICS OY (FI) 2005-02-23 EP disclosed
US-6582930-B1 Porphyrin for use as diagnostic tools in the food industry and pollution control ARCTIC DIAGNOSTICS OY (FI) 2003-06-24 US disclosed
EP-1129092-A1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES Arctic Diagnostics OY (FI) 2001-09-05 EP disclosed
WO-2000027847-A1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES ARCTIC DIAGNOSTICS OY (FI) 2000-05-18 WO disclosed